Geometry & MOs

Info

ID:	28687
PubChem CID:	828973
Reduced:	FNO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	255.125073
ΔH_f, kcal/mol:	-157.49
Dipole, Da:	7.58
IP(EA), eV:	-9.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-ethyl-6-(4-methylpiperidin-1-yl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@H]([C@H](C)C(=O)NC2=CC=C(C=C2)F)C(=O)O

DOS

IR

Vibrations